5T4
Summary
| Name: | ~{N}-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide |
| Formula: | C15 H23 N5 O |
| Formal charge: | 0 |
| Formula weight: | 289.376 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | ~{N}-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H23N5O/c21-15(20-8-1-2-9-20)18-12-13-4-10-19(11-5-13)14-16-6-3-7-17-14/h3,6-7,13H,1-2,4-5,8-12H2,(H,18,21) |
| InChIKey | InChI | 1.03 | FCFQJWMZANDTQL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCC1CCN(CC1)c2ncccn2)N3CCCC3 |
| SMILES | CACTVS | 3.385 | O=C(NCC1CCN(CC1)c2ncccn2)N3CCCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cnc(nc1)N2CCC(CC2)CNC(=O)N3CCCC3 |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cnc(nc1)N2CCC(CC2)CNC(=O)N3CCCC3 |
